Pentane-1,5-diyl diacrylate

Name: Pentane-1,5-diyl diacrylate
SKU: PI36840854
Rating: 5 (1 reviews)

Cat. No.: PI36840854

Product Details Other Identifiers Computed Properties

CAS	36840-85-4
Purity	97% (stabilized with MEHQ)
Molecular Formula	C11H16O4
Molecular Weight	212.24
Molar Refractivity	56.61

Pubchem ID	93195
InChI Key	XAMCLRBWHRRBCN-UHFFFAOYSA-N
MDL Number	MFCD00078444

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	10
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.45
Log Po/w (iLOGP)	2.97
Log Po/w (XLOGP3)	2.26
Log Po/w (WLOGP)	1.62
Log Po/w (MLOGP)	1.66
Log Po/w (SILICOS-IT)	2.41
Consensus Log Po/w	2.18
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.99 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	2.0
Synthetic Accessibility	2.1

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